2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine

C11H14ClN3 — CID 83241161

IUPAC2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine
SMILESCC1CC(N)=NN1Cc1cccc(Cl)c1
InChIInChI=1S/C11H14ClN3/c1-8-5-11(13)14-15(8)7-9-3-2-4-10(12)6-9/h2-4,6,8H,5,7H2,1H3,(H2,13,14)
InChIKeyPACUDUHQPPGGCZ-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.21
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine

2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine (PubChem CID 83241161) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine
PubChem CID83241161
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine
SMILESCC1CC(N)=NN1Cc1cccc(Cl)c1
InChIInChI=1S/C11H14ClN3/c1-8-5-11(13)14-15(8)7-9-3-2-4-10(12)6-9/h2-4,6,8H,5,7H2,1H3,(H2,13,14)
InChIKeyPACUDUHQPPGGCZ-UHFFFAOYSA-N
XLogP2.21
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
2-[(3-chlorophenyl)methyl]-4,5-dimethyl-4H-pyrazol-3-one
CID 63278573
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
1-[(3-chlorophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870253
[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79103464
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine
CID 164927220
1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole
CID 143458745
N-[[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43648043

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine (CID 83241161) is 2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine is CC1CC(N)=NN1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine?
The InChIKey is PACUDUHQPPGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-8-5-11(13)14-15(8)7-9-3-2-4-10(12)6-9/h2-4,6,8H,5,7H2,1H3,(H2,13,14).
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine?
2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine has a molecular weight of 223.71 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-methyl-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 83241161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).